SCHEMBL11878906

SCHEMBL11878906

CC(=O)Oc1ccccc1CSc1nnnn1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.64
LMNA P02545 3/20 0.64
MAPK1 P28482 2/20 0.64
TSHR P16473 2/20 0.64
GAA P10253 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
HPGD P15428 3/20 0.56
PPARG P37231 1/20 0.56
POLB P06746 3/20 0.56
MAPT P10636 2/20 0.56
PKM P14618 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17511445 0.84 ALDH1A1 (0.73) ALDH1A1LMNAMAPK1TSHRGAA
SCHEMBL11875780 0.84 ALDH1A1 (0.72) ALDH1A1LMNAMAPK1TSHRMEN1
SCHEMBL11871837 0.77 ALDH1A1 (0.67) ALDH1A1LMNAMAPK1TSHRGAA
SCHEMBL18323498 0.77 ALDH1A1 (0.67) ALDH1A1LMNAMAPK1TSHRGAA
SCHEMBL11925367 0.76 ALDH1A1 (0.78) ALDH1A1LMNATSHRGAAMEN1
SCHEMBL10998726 0.74 ALDH1A1 (0.66) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL1610031 0.73 POLB (1.00) ALDH1A1LMNAMAPK1TSHRMEN1
SCHEMBL8188675 0.73 ALDH1A1 (0.72) ALDH1A1MAPK1GAAMEN1KMT2A
SCHEMBL9183045 0.73 ALDH1A1 (0.56) ALDH1A1LMNAMAPK1TSHRNPSR1
SCHEMBL8186954 0.72 ALDH1A1 (1.00) ALDH1A1LMNAMAPK1TSHRGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3993661-A Quinone methide photograhpic reagent precursors POLAROID CORPORATION (US) 1976-11-23 US claimed
US-3993661-A Quinone methide photograhpic reagent precursors POLAROID CORPORATION (US) 1976-11-23 US disclosed